3LIQ
Crystal Structure of HTLV protease complexed with the inhibitor, KNI-10673
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 77.950, 77.950, 163.204 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.290 |
| R-factor | 0.18989 |
| Rwork | 0.188 |
| R-free | 0.23433 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b7f |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.605 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0057) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.290 | 2.300 |
| Number of reflections | 13688 | |
| <I/σ(I)> | 21.9 | 4.6 |
| Completeness [%] | 99.1 | 92.3 |
| Redundancy | 9.5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 17% PEG8000, 16% PEG300, 10mM DTT and 0,2M KH2PO4, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
